3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-fluoroanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-fluoroanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H12FN3O4 MolecularWeight: 341.293283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C17H12FN3O4/c18-10-5-7-11(8-6-10)19-14(22)9-21-16(23)13-4-2-1-3-12(13)15(20-21)17(24)25/h1-8H,9H2,(H,19,22)(H,24,25)